Crystallography Open Database

Information card for entry 7053589

Preview

Coordinates	7053589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H134 Co3 N18 O49 P9
Calculated formula	C27 H125 Co3 N18 O49 P9
Title of publication	Homochiral column structure of rac- and Λ-[MIII(tn)3]P3O9 (M = Co, Cr; tn = 1,3-diaminopropane; P3O9 = cyclotriphosphate(3−)) produced by multiple hydrogen bonds
Authors of publication	Sunatsuki, Yukinari; Miyahara, Sho; Suzuki, Takayoshi; Kojima, Masaaki; Nakashima, Toshio; Matsumoto, Naohide; Galsbøl, Frode
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	12
Pages of publication	2777
a	11.9653 ± 0.0003 Å
b	28.8024 ± 0.0006 Å
c	23.1787 ± 0.0005 Å
α	90°
β	94.9064 ± 0.0009°
γ	90°
Cell volume	7958.8 ± 0.3 Å³
Cell temperature	103.1 K
Ambient diffraction temperature	103.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.2057
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
275251 (current)	2022-05-09	cif/7/05/35/ Replaced the '' sequence with a backslash symbol ('\') in multiple data values in entries 7053589-7053592.	7053589.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7053589.cif
93730	2014-01-13	cif/ Adding structures of 7053589, 7053590, 7053591, 7053592 via cif-deposit CGI script.	7053589.cif